Vitas-M small molecule compound

4-(2-{(E)-[1-(2-fluorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-pyrrol-1-yl)benzoic acid

Catalog ID
STK190260
SMILES OC(=O)c1ccc(cc1)n1cccc1/C=C/1\C(=O)NC(=S)N(C1=O)c1ccccc1F

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C22H14FN3O4S MW 435.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H14FN3O4S/c23-17-5-1-2-6-18(17)26-20(28)16(19(27)24-22(26)31)12-15-4-3-11-25(15)14-9-7-13(8-10-14)21(29)30/h1-12H,(H,29,30)(H,24,27,31)/b16-12+
InChIKey
ZCDQDGGCTRDRGF-FOWTUZBSSA-N
Synonyms

4(2((E)(1(2fluorophenyl)46dioxo2sulfanylidene13diazinan5ylidene)methyl)pyrrol1yl)benzoicacid
4(2((E)(1(2FLUOROPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)1HPYRROL1YL)BENZOICACID
C1=CC=C(C(=C1)N2C(=O)C(=CC3=CC=CN3C4=CC=C(C=C4)C(=O)O)C(=O)NC2=S)F
InChI=1SC22H14FN3O4Sc2317512618(17)2620(28)16(19(27)2422(26)31)1215431125(15)149713(81014)21(29)30h112H(H2930)(H242731)b1612+
MFCD07115328
OC(=O)c1ccc(cc1)n1cccc1C=C1C(=O)NC(=S)N(C1=O)c1ccccc1F
ZINC000009908232
ZINC9908232

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.